N-(4-methylphenyl)-N-pyren-1-yl-pyren-1-amine

Systemtic Name: N-(4-methylphenyl)-N-pyren-1-yl-pyren-1-amine Openeye Name: N-(p-tolyl)-N-pyren-1-yl-pyren-1-amine CAS Name: N-(4-methylphenyl)-N-(1-pyrenyl)-1-pyrenamine IUPAC Name: N-(4-methylphenyl)-N-pyren-1-ylpyren-1-amine Traditional Name: p-tolyl-di(pyren-1-yl)amine Formula: C39H25N MolecularWeight: 507.6225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C39H25N/c1-24-8-18-31(19-9-24)40(34-22-16-29-12-10-25-4-2-6-27-14-20-32(34)38(29)36(25)27)35-23-17-30-13-11-26-5-3-7-28-15-21-33(35)39(30)37(26)28/h2-23H,1H3